1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium

C11H18N+ — CID 140720296

IUPAC1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium
SMILESCC(C)[C@@H](C)c1cccc[n+]1C
InChIInChI=1S/C11H18N/c1-9(2)10(3)11-7-5-6-8-12(11)4/h5-10H,1-4H3/q+1/t10-/m1/s1
InChIKeyAXFWMAGMSQRSNK-SNVBAGLBSA-N
MW164.27 g/mol
LogP2.27
Rot. Bonds2

About 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium

1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium (PubChem CID 140720296) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium
PubChem CID140720296
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium
SMILESCC(C)[C@@H](C)c1cccc[n+]1C
InChIInChI=1S/C11H18N/c1-9(2)10(3)11-7-5-6-8-12(11)4/h5-10H,1-4H3/q+1/t10-/m1/s1
InChIKeyAXFWMAGMSQRSNK-SNVBAGLBSA-N
XLogP2.27
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
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ethane;methyl 1-methylpyridin-1-ium-2-carboxylate;tetramethylphosphanium
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1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium
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1,2-dimethylpyridin-1-ium;methane
CID 162122842
tetrakis(1-methylpyridin-1-ium-2-yl)boranuide
CID 123631550
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
magnesium;hydride;trimethyl-(1-methylpyridin-1-ium-2-yl)silane;iodide
CID 174896070
1-methyl-2-(4-methylpentyl)pyridin-1-ium
CID 58357284
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium?
The IUPAC name of 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium (CID 140720296) is 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium is CC(C)[C@@H](C)c1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium?
The InChIKey is AXFWMAGMSQRSNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N/c1-9(2)10(3)11-7-5-6-8-12(11)4/h5-10H,1-4H3/q+1/t10-/m1/s1.
What are the key properties of 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium?
1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium has a molecular weight of 164.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2R)-3-methylbutan-2-yl]pyridin-1-ium is sourced from PubChem (CID 140720296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).